methyl 2-[6-bromanyl-2-(4-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-(4-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(4-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-bromo-2-p-toluoylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

InChI

InChI=1S/C18H15BrN2O3S/c1-11-3-5-12(6-4-11)17(23)20-18-21(10-16(22)24-2)14-8-7-13(19)9-15(14)25-18/h3-9H,10H2,1-2H3